Panadoxine P

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  • Identifiers

    CAS number
    36944-85-1

    Molecular formula
    C8H10NO5P

    SMILES
    CC1=NC=C(C2=C1OP(=O)(OC2)O)CO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 70.25%
    Sweet 21.7%
    Milky 20.54%
    Creamy 19.25%
    Phenolic 18.9%
    Nutty 18.88%
    Vanilla 18.64%
    Roasted 17.17%
    Bitter 16.54%
    Burnt 15.74%

     

    Flavor
    Bitter 49.81%
    Odorless 36.3%
    Mild 25.84%
    Very mild 23.18%
    Nutty 22.84%
    Bland 22.64%
    Sweet-like 22.19%
    Extremely sweet 21.58%
    Bread 21.57%
    Cotton candy 21.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    8.37 (weak base)

    Molecular weight
    231.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1027°C

    Flash point

    • 224.55 ˚C est.

  • Synonyms

    • Panadoxine P
    • 36944-85-1
    • Y8CU6BKQ58
    • 4H-1,3,2-Dioxaphosphorino(4,5-C)pyridine-5-methanol, 2-hydroxy-8-methyl-, 2-oxide
    • RefChem:202499
    • (2-hydroxy-8-methyl-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-5-yl)methanol
    • 2-Hydroxy-8-methyl-4H-1,3,2-dioxaphosphorino[4,5-c]pyridine-5-methanol 2-oxide
    • PanadoxineP
    • UNII-Y8CU6BKQ58
    • SCHEMBL29470164
    • DTXSID301021268
    • LBA94485
    • DB-228122
    • HY-103584
    • CS-0028148
    • 36944-85-1

  • Applications

    Panadoxine P, CAS 36944-85-1, is used as an additive in cosmetics and personal care with roles as a stabilizer and may function as an odorant or fragrance fixative in formulations; it may also serve as a solvent or processing intermediate in chemical and plastics manufacturing, and is considered for applications in coatings/inks and cleaning formulations, with use restricted by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.83
    methanol 5.58
    isopropanol 1.81
    water 9.75
    ethyl acetate 1.14
    n-propanol 1.31
    acetone 3.4
    n-butanol 1.46
    acetonitrile 1.97
    DMF 17.63
    toluene 0.74
    isobutanol 1.02
    1,4-dioxane 4.15
    methyl acetate 1.26
    THF 7.49
    2-butanone 1.84
    n-pentanol 1.03
    sec-butanol 1.35
    n-hexane 0.06
    ethylene glycol 5.14
    NMP 29.13
    cyclohexane 0.28
    DMSO 67.95
    n-butyl acetate 2.17
    n-octanol 1.52
    chloroform 0.61
    n-propyl acetate 0.98
    acetic acid 2.66
    dichloromethane 1.3
    cyclohexanone 5.71
    propylene glycol 1.7
    isopropyl acetate 1.14
    DMAc 27.03
    2-ethoxyethanol 8.06
    isopentanol 1.69
    n-heptane 0.32
    ethyl formate 2.67
    1,2-dichloroethane 1.51
    n-hexanol 2.3
    2-methoxyethanol 17.75
    isobutyl acetate 0.4
    tetrachloromethane 0.5
    n-pentyl acetate 2.06
    transcutol 6.06
    n-heptanol 2.55
    ethylbenzene 0.43
    MIBK 1.6
    2-propoxyethanol 10.14
    tert-butanol 3.66
    MTBE 0.71
    2-butoxyethanol 7.29
    propionic acid 1.3
    o-xylene 1.2
    formic acid 13.3
    diethyl ether 0.88
    m-xylene 0.82
    p-xylene 0.62
    chlorobenzene 0.62
    dimethyl carbonate 2.2
    n-octane 0.17
    formamide 22.28
    cyclopentanone 7.83
    2-pentanone 1.82
    anisole 1.19
    cyclopentyl methyl ether 2.29
    gamma-butyrolactone 7.8
    1-methoxy-2-propanol 8.59
    pyridine 3.48
    3-pentanone 1.57
    furfural 13.41
    n-dodecane 0.12
    diethylene glycol 17.63
    diisopropyl ether 0.42
    tert-amyl alcohol 2.43
    acetylacetone 4.16
    n-hexadecane 0.14
    acetophenone 2.64
    methyl propionate 1.53
    isopentyl acetate 2.01
    trichloroethylene 1.52
    n-nonanol 1.57
    cyclohexanol 2.18
    benzyl alcohol 2.41
    2-ethylhexanol 1.63
    isooctanol 1.99
    dipropyl ether 1.51
    1,2-dichlorobenzene 1.18
    ethyl lactate 2.2
    propylene carbonate 3.9
    n-methylformamide 8.0
    2-pentanol 0.94
    n-pentane 0.1
    1-propoxy-2-propanol 6.12
    1-methoxy-2-propyl acetate 3.58
    2-(2-methoxypropoxy) propanol 6.13
    mesitylene 0.83
    ε-caprolactone 4.48
    p-cymene 1.23
    epichlorohydrin 6.36
    1,1,1-trichloroethane 0.67
    2-aminoethanol 4.17
    morpholine-4-carbaldehyde 18.36
    sulfolane 23.15
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 3.08
    n-hexyl acetate 1.87
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 6.52
    sec-butyl acetate 0.58
    tert-butyl acetate 1.67
    decalin 0.11
    glycerin 8.29
    diglyme 13.32
    acrylic acid 1.86
    isopropyl myristate 0.97
    n-butyric acid 1.98
    acetyl acetate 1.29
    di(2-ethylhexyl) phthalate 2.29
    ethyl propionate 1.07
    nitromethane 7.31
    1,2-diethoxyethane 1.97
    benzonitrile 2.47
    trioctyl phosphate 1.84
    1-bromopropane 0.49
    gamma-valerolactone 12.57
    n-decanol 1.22
    triethyl phosphate 2.42
    4-methyl-2-pentanol 0.81
    propionitrile 1.38
    vinylene carbonate 3.26
    1,1,2-trichlorotrifluoroethane 10.55
    DMS 1.57
    cumene 0.4
    2-octanol 1.46
    2-hexanone 1.22
    octyl acetate 1.45
    limonene 1.34
    1,2-dimethoxyethane 11.1
    ethyl orthosilicate 2.15
    tributyl phosphate 1.58
    diacetone alcohol 5.54
    N,N-dimethylaniline 1.72
    acrylonitrile 2.23
    aniline 1.71
    1,3-propanediol 6.93
    bromobenzene 0.57
    dibromomethane 0.78
    1,1,2,2-tetrachloroethane 2.09
    2-methyl-cyclohexyl acetate 2.17
    tetrabutyl urea 3.26
    diisobutyl methanol 1.29
    2-phenylethanol 4.04
    styrene 0.36
    dioctyl adipate 1.63
    dimethyl sulfate 6.89
    ethyl butyrate 2.04
    methyl lactate 3.89
    butyl lactate 2.89
    diethyl carbonate 1.84
    propanediol butyl ether 4.2
    triethyl orthoformate 2.39
    p-tert-butyltoluene 1.12
    methyl 4-tert-butylbenzoate 5.47
    morpholine 4.72
    tert-butylamine 1.19
    n-dodecanol 0.93
    dimethoxymethane 8.85
    ethylene carbonate 2.82
    cyrene 9.7
    2-ethoxyethyl acetate 2.91
    2-ethylhexyl acetate 1.58
    1,2,4-trichlorobenzene 1.47
    4-methylpyridine 2.79
    dibutyl ether 0.85
    2,6-dimethyl-4-heptanol 1.29
    DEF 4.72
    dimethyl isosorbide 11.49
    tetrachloroethylene 2.13
    eugenol 5.97
    triacetin 2.5
    span 80 3.86
    1,4-butanediol 2.98
    1,1-dichloroethane 0.48
    2-methyl-1-pentanol 1.06
    methyl formate 6.57
    2-methyl-1-butanol 1.26
    n-decane 0.2
    butyronitrile 1.45
    3,7-dimethyl-1-octanol 1.42
    1-chlorooctane 0.55
    1-chlorotetradecane 0.28
    n-nonane 0.17
    undecane 0.15
    tert-butylcyclohexane 0.07
    cyclooctane 0.18
    cyclopentanol 3.06
    tetrahydropyran 1.61
    tert-amyl methyl ether 0.95
    2,5,8-trioxanonane 11.49
    1-hexene 0.14
    2-isopropoxyethanol 3.93
    2,2,2-trifluoroethanol 4.51
    methyl butyrate 1.62

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction